3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide

C15H29FN2O2S — CID 75377027

IUPAC3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCC1CCC(N2CCC(NS(=O)(=O)CCCF)CC2)CC1
InChIInChI=1S/C15H29FN2O2S/c1-13-3-5-15(6-4-13)18-10-7-14(8-11-18)17-21(19,20)12-2-9-16/h13-15,17H,2-12H2,1H3
InChIKeyKHWFVUUBAKBZOL-UHFFFAOYSA-N
MW320.47 g/mol
LogP2.31
Rot. Bonds6

About 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide

3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide (PubChem CID 75377027) has the molecular formula C15H29FN2O2S and a molecular weight of 320.47 g/mol. Its IUPAC name is 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide
PubChem CID75377027
Molecular FormulaC15H29FN2O2S
Molecular Weight320.47 g/mol
Exact Mass320.19
IUPAC Name3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide
SMILESCC1CCC(N2CCC(NS(=O)(=O)CCCF)CC2)CC1
InChIInChI=1S/C15H29FN2O2S/c1-13-3-5-15(6-4-13)18-10-7-14(8-11-18)17-21(19,20)12-2-9-16/h13-15,17H,2-12H2,1H3
InChIKeyKHWFVUUBAKBZOL-UHFFFAOYSA-N
XLogP2.31
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide?
The IUPAC name of 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide (CID 75377027) is 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide?
The canonical SMILES for 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide is CC1CCC(N2CCC(NS(=O)(=O)CCCF)CC2)CC1.
What is the InChIKey of 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide?
The InChIKey is KHWFVUUBAKBZOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29FN2O2S/c1-13-3-5-15(6-4-13)18-10-7-14(8-11-18)17-21(19,20)12-2-9-16/h13-15,17H,2-12H2,1H3.
What are the key properties of 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide?
3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide has a molecular weight of 320.47 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[1-(4-methylcyclohexyl)piperidin-4-yl]propane-1-sulfonamide is sourced from PubChem (CID 75377027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).